element(s):
['Ni', 'O']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2269']
model name:
Sim_LAMMPS_Buckingham_FisherMatsubara_2005_NiO__SM_337243826931_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'O']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.2269, 0, 0], [0, 4.2269, 0], [0, 0, 4.2269]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:53:45     -162.554060         0.325002
BFGS:    1 16:53:45     -162.558430         0.305211
BFGS:    2 16:53:46     -162.587893         0.085905
BFGS:    3 16:53:46     -162.590360         0.003132
BFGS:    4 16:53:47     -162.590377         0.000029
BFGS:    5 16:53:47     -162.590378         0.000000
BFGS:    6 16:53:47     -162.590378         0.000000
BFGS:    7 16:53:48     -162.590208         0.000106
BFGS:    8 16:53:48     -162.590376         0.000106
BFGS:    9 16:53:48     -162.590377         0.000053
BFGS:   10 16:53:49     -162.590377         0.000000
BFGS:   11 16:53:49     -162.590378         0.000000
BFGS:   12 16:53:49     -162.590377         0.000000
BFGS:   13 16:53:49     -162.590378         0.000000
BFGS:   14 16:53:50     -162.590378         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.677664366036477e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'O', 'O', 'O', 'O']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.63376565e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.94005853e-68 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [3.06331059e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.188041081763018, -5.885277069912295e-33, 2.6967309684984218e-33], [-3.693452864645558e-33, 4.188041081763018, 5.0653943129450275e-18], [1.3014391156584083e-33, 5.0653943129450275e-18, 4.188041081763018]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.67766437e-10 -7.67766437e-10 -7.67766437e-10 -9.88020792e-26
  4.09935366e-34  5.23882286e-50]
energy per atom =  -20.32379719286576
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0